CID 3024688

96804-65-8

Structural Information

Molecular Formula
C11H21N3O2S
SMILES
CCOC(=O)CCN(C(=S)NCC=C)N(C)C
InChI
InChI=1S/C11H21N3O2S/c1-5-8-12-11(17)14(13(3)4)9-7-10(15)16-6-2/h5H,1,6-9H2,2-4H3,(H,12,17)
InChIKey
TYEWJMMRHAMOTG-UHFFFAOYSA-N
Compound name
ethyl 3-[dimethylamino(prop-2-enylcarbamothioyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.13544 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14272 163.9
[M+Na]+ 282.12466 168.7
[M+NH4]+ 277.16926 169.3
[M+K]+ 298.09860 163.3
[M-H]- 258.12816 163.4
[M+Na-2H]- 280.11011 164.6
[M]+ 259.13489 164.3
[M]- 259.13599 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe